[2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol

C9H10BrN3O2 — CID 144576901

IUPAC[2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol
SMILESCc1nc2c(nc1Br)c(CO)cn2CO
InChIInChI=1S/C9H10BrN3O2/c1-5-8(10)12-7-6(3-14)2-13(4-15)9(7)11-5/h2,14-15H,3-4H2,1H3
InChIKeyAPHSJOPAPMBPLG-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.94
Rot. Bonds2

About [2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol

[2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol (PubChem CID 144576901) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is [2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol.

Molecular Properties

Compound Name[2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol
PubChem CID144576901
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name[2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol
SMILESCc1nc2c(nc1Br)c(CO)cn2CO
InChIInChI=1S/C9H10BrN3O2/c1-5-8(10)12-7-6(3-14)2-13(4-15)9(7)11-5/h2,14-15H,3-4H2,1H3
InChIKeyAPHSJOPAPMBPLG-UHFFFAOYSA-N
XLogP0.94
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-bromo-5-(hydroxymethyl)-4-methylpyrrolo[2,3-b]pyrazin-4-ium-7-yl]methanol
CID 123887303
[2-bromo-5-(hydroxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]methanol;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 159773103
(6-bromo-8-methylimidazo[1,2-a]pyrazin-2-yl)methanol
CID 123583036
[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 165072337
5-bromo-3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyrazine
CID 59995691
6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyrazine
CID 170993894
[3-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 138506131
(6-chloro-2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methanol
CID 82531125
6-bromo-9-[(5-methoxy-4,6-dimethyl-3-pyridinyl)methyl]purin-2-amine;methanol
CID 143429711
(4-methyl-2-methylsulfonylpyrimidin-5-yl)methanol
CID 84721428
(3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanol
CID 84617838
4-amino-1-ethyl-5-(hydroxymethyl)pyrimidin-2-one
CID 167492181

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol?
The IUPAC name of [2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol (CID 144576901) is [2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol.
What is the SMILES notation for [2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol?
The canonical SMILES for [2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol is Cc1nc2c(nc1Br)c(CO)cn2CO.
What is the InChIKey of [2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol?
The InChIKey is APHSJOPAPMBPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c1-5-8(10)12-7-6(3-14)2-13(4-15)9(7)11-5/h2,14-15H,3-4H2,1H3.
What are the key properties of [2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol?
[2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol has a molecular weight of 272.10 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(hydroxymethyl)-3-methylpyrrolo[2,3-b]pyrazin-7-yl]methanol is sourced from PubChem (CID 144576901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).